• Title/Summary/Keyword: Molecular Spectroscopy

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Structural and Dynamic Studies of the Central Segments in the Self-complementary Decamer DNA Duplexes d(ACGTATACGT)2 and d(ACGTTAACGT)2

  • Park, Jin-Young;Lee, Joon-Hwa;Choi, Byong-Seok
    • BMB Reports
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    • v.31 no.1
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    • pp.89-94
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    • 1998
  • The structures of the self-complementary decamer duplexes, $d(ACGTATACGT)_2$ (TATA-duplex) and $d(ACGTTAACGT)_2$, (TTAA-duplex) has been obtained in solution by proton NMR spectroscopy and restrained molecular dynamics. The duplexes are essentially B-type, with distortions apparent at the TATA and TTAA steps. Theses distortions and their effects on dynamics have been investigated by the measurement of imino proton exchange time of the base-pairs. The unusual opening kinetics of central A T base-pairs could be correlated to the abnormal structural properties of the corresponding sequences.

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NMR methods in fragment based drug discovery

  • Lim, Jongsoo
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.3
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    • pp.132-136
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    • 2015
  • Nuclear magnetic resonance (NMR) spectroscopy, owing to its ability to provide atomic level information on molecular structure, dynamics and interaction, has become one of the most powerful methods in early drug discovery where hit finding and hit-to-lead generation are mainly pursued. In recent years, drug discovery programs originating from the fragment-based drug discovery (FBDD) strategies have been widely incorporated into academia and industry in which a wide variety of NMR methods become an indispensable arsenal to elucidate the binding of small molecules onto bimolecular targets. In this review, I briefly describe FBDD and introduce NMR methods mainly used in FBDD campaigns of my company. In addition, quality control of fragment library and practical NMR methods in industrial aspect are discussed shortly.

Fabrication of Organic-Inorganic Hybrid Thin Film by Molecular Layer Deposition

  • Han, Gyu-Seok;Kim, Su-Hwan;Han, Gi-Bok;Seong, Myeong-Mo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.251-251
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    • 2010
  • Organic-inorganic hybrid materials have attracted because of its combined properties, such as flexibility and high electrical performance. In addition, the hybrid materials are expected to have synergic effect which are not shown in just one component. Here, we fabricated organic-inorganic hybrid thin film. Organic-inorganic hybrid thin film have been deposited from diethyl zinc and 1, 2, 4-trihydroxybenzene (THB) by molecular layer deposition (MLD). UV-VIS, Using Infrared spectrum and X-ray photoelectron spectroscopy confirm that Zinc and THB hybrid film (ZnTHB) consist of Zn-O and THB - oxide units and the micro structure and composition of hybrid film. hat the sequential surface reactions of diethyl zinc and ethylene glycol are sufficiently self-limiting and saturating to enable well-controlled MLD growth. Transmission electron microscopy image shows lamination growth of ZnTHB film according to cycle.

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Synthesis of Norbornene Block Copolymers Containing Polyhedral Oligomeric Silsesquioxane by Sequential Ring-Opening Metathesis Polymerization

  • Kwon Young-Hwan;Kim Kyung-Hoe
    • Macromolecular Research
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    • v.14 no.4
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    • pp.424-429
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    • 2006
  • The synthesis of a series of poly(POSS-NBE-b-MTD) copolymers was successfully accomplished, taking advantage of sequential, ring-opening, metathesis block copolymerization using $RuCl_2(=CHPh)(PCy_3)_2$ catalyst. By using cyclopentyl-POSS-norbornene (POSS-NBE) monomer as the first block in the block copolymer, living poly(POSS-NBE) with controlled molecular weight and narrow molecular weight distribution was produced. Then, poly(POSS-NBE-b-MTD) copolymers were successfully prepared, in which sequential monomer addition of methyltetracyclododecene (MTD) to the living poly(POSS-NBE) chain ends was utilized to achieve quantitative crossover efficiency. Characterization by $^1H$ NMR spectroscopy and GPC confirmed the high definition and structural integrity of the poly(PO$S-NBE-b-MTD) copolymers. Thermal properties-and morphologies of the POSS-containing block copolymer nanocomposites were also investigated by using thermogravimetric analysis (TGA), transmission electron microscopy (TEM), and wide-angle X-ray scattering (WAXS).

Isolation and Characterization of Marinobacter sp. KS-1, which Produces a Chondroitin Sulfate-like Mucopolysaccharide

  • Lee, Dae-Sung;Kim, Kyung-Suk;Lee, Myung-Suk;Kim, Young-Mog
    • Fisheries and Aquatic Sciences
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    • v.13 no.3
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    • pp.210-215
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    • 2010
  • In an effort to isolate a bacterium producing chondroitin sulfate (CS), a marine bacterium, KS-1, which produces mucopolysaccharides, was isolated from seawater and identified as Marinobacter sp. based on analyses of its morphological and biochemical traits and 16S rDNA sequence. Agarose-gel electrophoresis showed that the KS-1 strain produces a CS-like mucopolysaccharide. Structural analysis using Fourier transform infrared spectroscopy revealed that the structure of the CS-like mucopolysaccharide produced by Marinobacter sp. KS-1 is similar to that of dermatan sulfate (CS B). However, the molecular mass of the CS-like mucopolysaccharide is higher than that of standard chondroitin sulfates. Considering the above results, we conclude that the Marinobacter sp. KS-1 produces a CS-like mucopolysaccharide that differs somewhat from CS B in molecular mass.

Molecular Layer Deposition of Titanium Nitride Cross-linked Benzene Using Titaniumchloride and 1,4-Phenylenediamine

  • Han, Gyu-Seok;Yang, Da-Som;Kim, Se-Jun;Seong, Myeong-Mo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.305-305
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    • 2012
  • The organic-inorganic hybrid polymer thin films were deposited using the gas phase method which known as molecular layer deposition (MLD). Titaniumchloride (TiCl4) and 1,4-phenylenediamine (PD) were used as monomers to deposit hybrid polymer. Self-terminating nature of TiCl4 and PD reaction were demonstrated by growth rate saturation versus precursors dosing time. Infrared spectroscopic and X-ray photoelectron spectroscopy were employed to determine the chemical composition and state of hybrid polymer thin films. Layer by layer growth was showed by increasing UV-VIS absorption peak of hybrid polymer thin films.

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A study on the growth and characterization of $\alpha$ -Sexithienyl thin films by OMBD(Organic Molecular Beam Deposition) technique (유기 분자빔 성막법을 이용한 $\alpha$-Sexithieny1 박막의 성장 및 특성 연구)

  • 박용인;박주강;권오관;김영관;최종선;신동병;손병청;강도열
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1996.11a
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    • pp.187-190
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    • 1996
  • Conducting polymers have band structures similar to those of inorganic semiconductors such as silicon. Several electronic devices have been constructed with conjugated polymers, mainly Schottky diodes and Metal-Insulator-Semiconductor Field-Effect Transistors (MISFET's). Organic semiconductor has been reported as active materials in MISFET's.$^{1.4}$ In our laboratory, $\alpha$-Sexithiencyl ($\alpha$-6T) has been synthesized and purified by sublimation method. In this study, thin films of $\alpha$-Sexithienyl were prepared on various substrates in ultra-high vacuum chamber by vacuum evaporation method, so called OMBD(Organic Molocular Beam Deposition).$^{7.9}$ The $\alpha$-Sexithienyl thin films were deposited with various deposition conditions. The crystalline structure, and molecular orientation of these films have being studied by using UV/Vis. spectroscopy and X-Ray Diffractometry.

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Well-Defined Thermoresponsive Copolymers with Tunable LCST and UCST in Water

  • Jung, Seo-Hyun;Lee, Hyung-Il
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.501-504
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    • 2014
  • A thermoresponsive polymer, poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA), was successfully synthesized by atom transfer radical polymerization (ATRP). Different amounts of 1,3-propanesultone were used as quaternization agent to transit the PDMAEMA into partially modified poly(zwitterions), resulting in p[DMAEMA-co-3-dimethyl(methacryloyloxyethyl)ammonium propanesulfonate] (PDMAEMA-co-PDMAPS). Molecular weight, molecular weight distribution, and degree of quarternization were determined by gel permeation chromatography (GPC) and 1H NMR spectroscopy. The transmission spectra of the 1.0 wt % aqueous solutions of the resulting polymers at 650 nm were measured as a function of temperature. Results showed that the lower critical solution temperature (LCST) and the upper critical solution temperature (UCST) could be easily controlled by the different composition of dimethylamino and zwitterion groups. The effect of partial quaternization on thermoresponsive properties was also studied by dynamic light scattering (DLS) with the same aqueous concentration (1.0 wt %) as employed for turbidimetry studies. The LCST and UCST values measured by DLS correlated well with those determined by turbidimetry.

Effect of gamma-irradiation on the Physicochemical Properties of Hemoglobin

  • Lee, Seung-hwan;Song, Kyung-Bin
    • Proceedings of the Korean Society of Postharvest Science and Technology of Agricultural Products Conference
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    • 2003.10a
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    • pp.135.1-135
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    • 2003
  • To elucidate the effect of gamma-irradiation on the molecular properties of hemoglobin, the secondary, tertiary structure, and the molecular weight size of the protein were examined after irradiation at 0.5, 1, 5, and 10 kGy. Gamma-irradiation of hemoglobin solutions caused the disruption of the ordered structure of the protein molecules, as well as degradation, cross-linking, and aggregation of the polypeptide chains. A SDS-PAGE study indicated that irradiation caused initial fragmentation of the proteins and subsequent aggregation due to cross-linking of the protein molecules. The effect of irradiation on the protein was more significant at lower protein concentrations. Ascorbic acid decreased the degradation and aggregation of proteins by scavenging oxygen radicals that were produced by irradiation. A circular dichroism study showed that irradiation decreased the helical content of hemoglobin with a concurrent increase of the aperiodic structure content. Fluorescence spectroscopy indicated that irradiation decreased the emission intensity that was excited at 280 nm.

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